A review article published by Dalian Institute of Chemical Research on the resonance state of the reaction between fluorine atoms and hydrogen molecules

A review article written by Yang Xueming and Zhang Donghui, the State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, was published in this month's publication. Accounts of Chemical Research (the impact factor in 2007 was 16.214).

The article systematically introduces the breakthrough progress made in the study of the resonance state of the reaction between fluorine atoms and hydrogen molecules by the 1102 group of Dalian Institute of Chemical Research in recent years.

In the experiment, Yang Xueming and others used the self-developed cross-molecular beam-hydrogen atom Rydberg state marker detection device at the international advanced level to measure F + H2 (v = 0, j) with the highest accuracy in the field of gas phase dynamics so far. = 0,1)? HF + H and F + HD (v = 0, j = 0)? State-state differential scattering cross section of HF + D reaction, and F + H2 (v = 0, j = 0) was observed for the first time , 1)? HF (v '= 2) + H forward scattering phenomenon; in theoretical research, Zhang Donghui, through cooperation with Xie Daiqian of Nanjing University and Xu Xin of Xiamen University, constructed the most accurate potential energy for this reaction And using quantum dynamics calculations to obtain theoretical results that are highly consistent with the experiment. Quantum scattering theory analysis shows that the forward scattering of the HF (v '= 2) product in the F + H2 / HD reaction is directly caused by the resonance state of the reaction, while F + H2 (v = 0, j = 0)? HF ( The forward scattering of the v '= 3) + H reaction is mainly caused by the time delay effect of the reaction product when passing through the centrifugal barrier of the HF (v' = 3) -H 'vibrational adiabatic potential energy surface. This series of studies combining high-precision experiments and precise theories finally gave a clear answer to the resonance state phenomenon in this classic reaction system, thus solving an unsolved difficult problem in the chemical research in the world for more than 30 years.

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